[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C15H10F6N4O3 MolecularWeight: 408.255319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)C(=O)OCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CN=C(C(=N1)C(=O)OCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C15H10F6N4O3/c16-14(17,18)7-3-8(15(19,20)21)5-9(4-7)25-10(26)6-28-13(27)11-12(22)24-2-1-23-11/h1-5H,6H2,(H2,22,24)(H,25,26)